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Home Other Building Blocks 1-Chlorooctane

1-Chlorooctane

CAS No.:
111-85-3
Catalog Number:
AG003E8Q
Molecular Formula:
C8H17Cl
Molecular Weight:
148.6736
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$50
- +
Product Description
Catalog Number:
AG003E8Q
Chemical Name:
1-Chlorooctane
CAS Number:
111-85-3
Molecular Formula:
C8H17Cl
Molecular Weight:
148.6736
MDL Number:
MFCD00001022
IUPAC Name:
1-chlorooctane
InChI:
InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChI Key:
CNDHHGUSRIZDSL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCl
EC Number:
203-915-5
UNII:
E1047328LO
NSC Number:
5406
Properties
Complexity:
43.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.102g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.674g/mol
Monoisotopic Mass:
148.102g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Identification of urinary sex pheromones in female buffaloes and their influence on bull reproductive behaviour. Research in veterinary science 20111001
Phase behavior and microstructure of C12E5 nonionic microemulsions with chlorinated oils. Langmuir : the ACS journal of surfaces and colloids 20080401
Aqueous solubility, Henry's law constants and air/water partition coefficients of n-octane and two halogenated octanes. Chemosphere 20041201
Characterization of infrared and near-infrared absorptions of free alcoholic OH groups in hydrocarbon. Applied spectroscopy 20040801
Palladium(II)-catalyzed oxidation of aldehydes and ketones. 1. Carbonylation of ketones with carbon monoxide catalyzed by palladium(II) chloride in methanol. The Journal of organic chemistry 20010112
Properties